SCHEMBL9842498

SCHEMBL9842498

CCCCCCCO[C@H]1CC[C@H](c2c(-c3ccc(F)cc3)ccc(C(=O)O)c2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.41
RARB P10826 5/20 0.40
RARA P10276 2/20 0.37
RARG P13631 1/20 0.37
LTB4R2 Q9NPC1 6/20 0.37
LTB4R Q15722 3/20 0.37
LSS P48449 1/20 0.37
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9842647 0.99 PTPN11 (0.40) PTPN11RARBRARARARGLTB4R2
SCHEMBL9842573 0.96 RARB (0.40) PTPN11RARBRARARARGLTB4R2
SCHEMBL9842678 0.92 RARA (0.35) PTPN11RARBRARALTB4R2LTB4R
SCHEMBL9842441 0.88 KDM4E (0.36) LTB4R2LTB4R
SCHEMBL9842561 0.85 RARB (0.39) PTPN11RARBRARARARGLTB4R2
SCHEMBL9842423 0.83 RARB (0.38) PTPN11RARBRARARARGLTB4R2
SCHEMBL9842752 0.82 LTB4R2 (0.37) RARBRARARARGLTB4R2LTB4R
SCHEMBL9842253 0.80 KDM4E (0.43) PTPN11RARBRARARARGLTB4R2
SCHEMBL9842443 0.80 CYP2C9 (0.39) RARBRARARARGLTB4R2LTB4R
SCHEMBL9842351 0.78 RARB (0.40) PTPN11RARBRARARARGLTB4R2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413785-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. MERCK PATENT GMBH (DE) 1991-02-27 EP disclosed
WO-1990009420-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed